Compound Detail
CHEMBL3559494
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Basic Information
| ChEMBL ID | CHEMBL3559494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMZYTDRMCBZVNH-FQEVSTJZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
3.20
ALogP
3
HBA
2
HBD
81.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Ki 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | Ki | 6.44 | 6.44 | 360.0 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 4.36 | 4.36 | 43400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform | Ki | = | 360.0 | nM | 6.44 | Inhibition of rat liver carnitine palmitoyltransferase I | 12519067 |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltra... | 12519067 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 43400.0 | nM | 4.36 | In vitro inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine pal... | 12519067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12519067 | 10.1021/jm020979u | Mus musculus | 9 |
| 12519067 | 10.1021/jm020979u | Carnitine O-palmitoyltransferase 1, liver isoform | 2 |
| 12519067 | 10.1021/jm020979u | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
Data from ChEMBL 36 via Core Engine